methyl 2,5-diaminopyridine-3-carboxylate

C7H9N3O2 — CID 83792494

IUPACmethyl 2,5-diaminopyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1N
InChIInChI=1S/C7H9N3O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,8H2,1H3,(H2,9,10)
InChIKeyPTBHADOYGZEBKU-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.03
Rot. Bonds1

About methyl 2,5-diaminopyridine-3-carboxylate

methyl 2,5-diaminopyridine-3-carboxylate (PubChem CID 83792494) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is methyl 2,5-diaminopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-diaminopyridine-3-carboxylate
PubChem CID83792494
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Namemethyl 2,5-diaminopyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1N
InChIInChI=1S/C7H9N3O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,8H2,1H3,(H2,9,10)
InChIKeyPTBHADOYGZEBKU-UHFFFAOYSA-N
XLogP0.03
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074
methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate
CID 133086998
methyl 2-amino-5-(1,2-dihydroxy-4-sulfanylbutyl)pyridine-3-carboxylate
CID 171874724
methyl 2-amino-5-(4-amino-1,2-dihydroxy-4-oxobutyl)pyridine-3-carboxylate
CID 171899806
dimethyl 2,5-diaminobenzene-1,3-dicarboxylate
CID 46260640
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
CID 171868795
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate
CID 114047485
methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 114047408
4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid
CID 170484144

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-diaminopyridine-3-carboxylate?
The IUPAC name of methyl 2,5-diaminopyridine-3-carboxylate (CID 83792494) is methyl 2,5-diaminopyridine-3-carboxylate.
What is the SMILES notation for methyl 2,5-diaminopyridine-3-carboxylate?
The canonical SMILES for methyl 2,5-diaminopyridine-3-carboxylate is COC(=O)c1cc(N)cnc1N.
What is the InChIKey of methyl 2,5-diaminopyridine-3-carboxylate?
The InChIKey is PTBHADOYGZEBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,8H2,1H3,(H2,9,10).
What are the key properties of methyl 2,5-diaminopyridine-3-carboxylate?
methyl 2,5-diaminopyridine-3-carboxylate has a molecular weight of 167.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-diaminopyridine-3-carboxylate is sourced from PubChem (CID 83792494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).